1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one

C19H23N3O3 — CID 53157749

IUPAC1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one
SMILESCCCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1
InChIInChI=1S/C19H23N3O3/c1-3-12-25-17-13-16(23)18(19(24)21-10-4-5-11-21)20-22(17)15-8-6-14(2)7-9-15/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyIAYSLDSGXXWCFK-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.57
Rot. Bonds5

About 1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one

1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one (PubChem CID 53157749) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one
PubChem CID53157749
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one
SMILESCCCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1
InChIInChI=1S/C19H23N3O3/c1-3-12-25-17-13-16(23)18(19(24)21-10-4-5-11-21)20-22(17)15-8-6-14(2)7-9-15/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyIAYSLDSGXXWCFK-UHFFFAOYSA-N
XLogP2.57
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one?
The IUPAC name of 1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one (CID 53157749) is 1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one.
What is the SMILES notation for 1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one?
The canonical SMILES for 1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one is CCCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one?
The InChIKey is IAYSLDSGXXWCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-12-25-17-13-16(23)18(19(24)21-10-4-5-11-21)20-22(17)15-8-6-14(2)7-9-15/h6-9,13H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one?
1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one has a molecular weight of 341.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one is sourced from PubChem (CID 53157749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).